1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one

C30H29N3O2 — CID 118529013

IUPAC1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one
SMILESCC1(Cc2ncco2)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C30H29N3O2/c1-30(19-27-31-14-17-35-27)24-10-2-3-11-25(24)33(29(30)34)22-12-15-32(16-13-22)26-18-21-8-4-6-20-7-5-9-23(26)28(20)21/h2-11,14,17,22,26H,12-13,15-16,18-19H2,1H3
InChIKeyYWKNEQXOWCGCIB-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.44
Rot. Bonds4

About 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one

1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one (PubChem CID 118529013) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one.

Molecular Properties

Compound Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one
PubChem CID118529013
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one
SMILESCC1(Cc2ncco2)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C30H29N3O2/c1-30(19-27-31-14-17-35-27)24-10-2-3-11-25(24)33(29(30)34)22-12-15-32(16-13-22)26-18-21-8-4-6-20-7-5-9-23(26)28(20)21/h2-11,14,17,22,26H,12-13,15-16,18-19H2,1H3
InChIKeyYWKNEQXOWCGCIB-UHFFFAOYSA-N
XLogP5.44
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one?
The IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one (CID 118529013) is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one.
What is the SMILES notation for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one?
The canonical SMILES for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one is CC1(Cc2ncco2)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one?
The InChIKey is YWKNEQXOWCGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-30(19-27-31-14-17-35-27)24-10-2-3-11-25(24)33(29(30)34)22-12-15-32(16-13-22)26-18-21-8-4-6-20-7-5-9-23(26)28(20)21/h2-11,14,17,22,26H,12-13,15-16,18-19H2,1H3.
What are the key properties of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one?
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one has a molecular weight of 463.58 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one is sourced from PubChem (CID 118529013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).